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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(2-methylpropyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(2-methylpropyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-2-(quinazolin-4-ylthio)acetamide Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C25H26N6O3S/c1-16(2)12-30(20(32)14-35-24-18-10-6-7-11-19(18)27-15-28-24)21-22(26)31(25(34)29-23(21)33)13-17-8-4-3-5-9-17/h3-11,15-16H,12-14,26H2,1-2H3,(H,29,33,34)