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

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-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-1,3-dimethyl-5-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C21H25N7O3S MolecularWeight: 455.5333

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)N

InChI

InChI=1S/C21H25N7O3S/c1-25-17(22)16(18(30)26(2)21(25)31)15(29)13-32-20-24-23-19(27-11-7-4-8-12-27)28(20)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13,22H2,1-2H3