N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methoxyethyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methoxyethyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-(2-methoxyethyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-(quinazolin-4-ylthio)acetamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NC=NC3=CC=CC=C32)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NC=NC3=CC=CC=C32)N

InChI

InChI=1S/C21H26N6O4S/c1-13(2)10-27-18(22)17(19(29)25-21(27)30)26(8-9-31-3)16(28)11-32-20-14-6-4-5-7-15(14)23-12-24-20/h4-7,12-13H,8-11,22H2,1-3H3,(H,25,29,30)