N-[6-azanyl-4-oxidanylidene-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-pyrrolidinyl)ethylthio]-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-4-keto-2-(2-pyrrolidinoethylthio)-1H-pyrimidin-5-yl]benzamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2S/c18-14-13(19-15(23)12-6-2-1-3-7-12)16(24)21-17(20-14)25-11-10-22-8-4-5-9-22/h1-3,6-7H,4-5,8-11H2,(H,19,23)(H3,18,20,21,24)