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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(2-methylpropyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(2-methylpropyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-2-(2-pyrimidylthio)acetamide Formula: C21H24N6O3S MolecularWeight: 440.51866

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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=CC=N3

Isomeric SMILES

CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C21H24N6O3S/c1-14(2)11-26(16(28)13-31-20-23-9-6-10-24-20)17-18(22)27(21(30)25-19(17)29)12-15-7-4-3-5-8-15/h3-10,14H,11-13,22H2,1-2H3,(H,25,29,30)