N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-3-chloranyl-4-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-3-chloranyl-4-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-chloro-4-methyl-benzothiophene-2-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-3-chloro-4-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-chloro-4-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-chloro-4-methyl-benzothiophene-2-carboxamide Formula: C25H25ClN4O3S MolecularWeight: 497.009

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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)C3=C(C4=C(C=CC=C4S3)C)Cl

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(C4=C(C=CC=C4S3)C)Cl

InChI

InChI=1S/C25H25ClN4O3S/c1-3-4-13-29(24(32)21-19(26)18-15(2)9-8-12-17(18)34-21)20-22(27)30(25(33)28-23(20)31)14-16-10-6-5-7-11-16/h5-12H,3-4,13-14,27H2,1-2H3,(H,28,31,33)