AC1MK6I3 structure

AC1MK6I3

6-imino-7-(3-methoxypropyl)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

Also Known As: BAS 04996101|NCGC00100394-01|SR-01000368018-1|6-imino-7-(3-methoxypropyl)-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide|2-IMINO-1-(3-METHOXYPROPYL)-8-METHYL-5-OXO-N-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE|2-imino-1-(3-methoxypropyl)-8-methyl-5-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS: 842964-31-2
Molecular Formula C22H27N5O4
Molecular Weight 425.2063 g/mol
LogP 1.38239
Topological Polar Surface Area 110.71 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 425.2063
Monoisotopic Mass 425.2063
Heavy Atoms 31
Complexity 1240.587

Chemical Identifiers

CAS Number 842964-31-2
SMILES CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)NCC4CCCO4)C=C1

Product Overview

AC1MK6I3 (CAS 842964-31-2), with molecular formula C22H27N5O4 and molecular weight 425.2063 g/mol. IUPAC: 6-imino-7-(3-methoxypropyl)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

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