Compound C19H21N5O3S

5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one

CAS: 72830-39-8

Molecular Formula	`C19H21N5O3S`
Molecular Weight	399.5 g/mol
LogP	1.6
Topological Polar Surface Area	126.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	399.1365
Heavy Atoms	28
Complexity	629.0

Chemical Identifiers

CAS Number	72830-39-8
SMILES	`CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4`
InChIKey	`YTBDPHYVGACIPC-UHFFFAOYSA-N`

📖 Product Overview

Compound C19H21N5O3S (CAS: 72830-39-8) is a chemical compound with molecular formula C19H21N5O3S and molecular weight 399.5 g/mol. Its IUPAC systematic name is 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one. LogP 1.6 Topological Polar Surface Area 126.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 399.1365 Heavy Atoms 28 Complexity 629.0 InChI Key: YTBDPHYVGACIPC-UHFFFAOYSA-N. SMILES: CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4.

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