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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methoxyethyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methoxyethyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(6-amino-1-butyl-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:

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NC=NC3=CC=CC=C32)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NC=NC3=CC=CC=C32)N

InChI

InChI=1S/C21H26N6O4S/c1-3-4-9-27-18(22)17(19(29)25-21(27)30)26(10-11-31-2)16(28)12-32-20-14-7-5-6-8-15(14)23-13-24-20/h5-8,13H,3-4,9-12,22H2,1-2H3,(H,25,29,30)