AC1NKTEM structure

AC1NKTEM

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

Also Known As: N~3~-allyl-1-(4-chlorobenzyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide|1-(4-chlorobenzyl)-2-imino-5-oxo-N-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide|N-ALLYL-1-(4-CHLOROBENZYL)-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE|N-allyl-1-(4-chlorobenzyl)-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS: 893702-69-7
Molecular Formula C22H18ClN5O2
Molecular Weight 419.1149 g/mol
LogP 2.74617
Topological Polar Surface Area 92.25 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 419.1149
Monoisotopic Mass 419.1149
Heavy Atoms 30
Complexity 1403.7397

Chemical Identifiers

CAS Number 893702-69-7
SMILES C=CCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CC=C(C=C4)Cl

Product Overview

AC1NKTEM (CAS 893702-69-7), with molecular formula C22H18ClN5O2 and molecular weight 419.1149 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-6-imino-2-oxo-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

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