6-azanyl-1-cyclopropyl-5-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[1-oxo-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C22H25N7O3S MolecularWeight: 467.544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=C(N(C(=O)NC4=O)C5CC5)N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=C(N(C(=O)NC4=O)C5CC5)N

InChI

InChI=1S/C22H25N7O3S/c23-18-17(19(31)24-21(32)28(18)15-9-10-15)16(30)13-33-22-26-25-20(27-11-5-2-6-12-27)29(22)14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,23H2,(H,24,31,32)