6-azanyl-1,3-dimethyl-5-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]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]propanoyl]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]propanoyl]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]propyl]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]propanoyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propanoyl]pyrimidine-2,4-quinone Formula: C22H27N7O3S MolecularWeight: 469.55988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C22H27N7O3S/c1-14(17(30)16-18(23)26(2)22(32)27(3)19(16)31)33-21-25-24-20(28-12-8-5-9-13-28)29(21)15-10-6-4-7-11-15/h4,6-7,10-11,14H,5,8-9,12-13,23H2,1-3H3