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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O3S/c1-2-3-15-31(21(33)14-9-16-36-25-28-19-12-7-8-13-20(19)29-25)22-23(27)32(26(35)30-24(22)34)17-18-10-5-4-6-11-18/h4-8,10-13H,2-3,9,14-17,27H2,1H3,(H,28,29)(H,30,34,35)