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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C22H29N7O3 MolecularWeight: 439.51076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=NN(N=C2C)C3=CC=CC=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=NN(N=C2C)C3=CC=CC=C3)N

InChI

InChI=1S/C22H29N7O3/c1-4-6-13-27(18-19(23)28(14-7-5-2)22(32)24-20(18)30)21(31)17-15(3)25-29(26-17)16-11-9-8-10-12-16/h8-12H,4-7,13-14,23H2,1-3H3,(H,24,30,32)