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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCCC3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCCC3)N

InChI

InChI=1S/C18H21N5O3S/c1-11-4-6-12(7-5-11)16(25)20-14-15(19)21-18(22-17(14)26)27-10-13(24)23-8-2-3-9-23/h4-7H,2-3,8-10H2,1H3,(H,20,25)(H3,19,21,22,26)