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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylpropyl)butanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-(1H-benzimidazol-2-ylsulfanyl)-N-isobutyl-butanamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-4-(1H-benzimidazol-2-ylthio)-N-(2-methylpropyl)butanamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylpropyl)butanamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-4-(1H-benzimidazol-2-ylthio)-N-isobutyl-butyramide Formula: C26H30N6O3S MolecularWeight: 506.6198

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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)CCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C26H30N6O3S/c1-17(2)15-31(21(33)13-8-14-36-25-28-19-11-6-7-12-20(19)29-25)22-23(27)32(26(35)30-24(22)34)16-18-9-4-3-5-10-18/h3-7,9-12,17H,8,13-16,27H2,1-2H3,(H,28,29)(H,30,34,35)