2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamide

Systemtic Name: 2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamide Openeye Name: 2-(2-ethylsulfanyl-5-oxo-pyrimido[4,5-d]pyrimidin-6-yl)-N-[(4-isopropoxyphenyl)methyl]acetamide CAS Name: 2-[2-(ethylthio)-5-oxo-6-pyrimido[4,5-d]pyrimidinyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide IUPAC Name: 2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide Traditional Name: 2-[2-(ethylthio)-5-keto-pyrimido[4,5-d]pyrimidin-6-yl]-N-(4-isopropoxybenzyl)acetamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C2C(=N1)N=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CCSC1=NC=C2C(=N1)N=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C20H23N5O3S/c1-4-29-20-22-10-16-18(24-20)23-12-25(19(16)27)11-17(26)21-9-14-5-7-15(8-6-14)28-13(2)3/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,21,26)