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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-4-(1H-benzimidazol-2-ylsulfanyl)-N-propyl-butanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-(1H-benzimidazol-2-ylsulfanyl)-N-propyl-butanamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-4-(1H-benzimidazol-2-ylthio)-N-propylbutanamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(1H-benzimidazol-2-ylsulfanyl)-N-propylbutanamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-4-(1H-benzimidazol-2-ylthio)-N-propyl-butyramide Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O3S/c1-2-14-30(20(32)13-8-15-35-24-27-18-11-6-7-12-19(18)28-24)21-22(26)31(25(34)29-23(21)33)16-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16,26H2,1H3,(H,27,28)(H,29,33,34)