2-[[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[1,4-dioxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[4-keto-4-[4-(2-pyrimidyl)piperazino]butanoyl]amino]thiophene-3-carboxamide Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C17H20N6O3S/c18-15(26)12-4-11-27-16(12)21-13(24)2-3-14(25)22-7-9-23(10-8-22)17-19-5-1-6-20-17/h1,4-6,11H,2-3,7-10H2,(H2,18,26)(H,21,24)