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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-chloro-benzothiophene-2-carboxamide Formula: C24H23ClN4O3S MolecularWeight: 482.98242

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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=CC=CC=C4S3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN4O3S/c1-2-3-13-28(23(31)20-18(25)16-11-7-8-12-17(16)33-20)19-21(26)29(24(32)27-22(19)30)14-15-9-5-4-6-10-15/h4-12H,2-3,13-14,26H2,1H3,(H,27,30,32)