N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-5-methyl-N-pentyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-5-methyl-N-pentyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-5-methyl-N-pentyl-2-phenyl-triazole-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-5-methyl-N-pentyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methyl-N-pentyl-2-phenyltriazole-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C23H31N7O3 MolecularWeight: 453.53734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=NN(N=C2C)C3=CC=CC=C3

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=NN(N=C2C)C3=CC=CC=C3

InChI

InChI=1S/C23H31N7O3/c1-4-6-11-15-28(19-20(24)29(14-7-5-2)23(33)25-21(19)31)22(32)18-16(3)26-30(27-18)17-12-9-8-10-13-17/h8-10,12-13H,4-7,11,14-15,24H2,1-3H3,(H,25,31,33)