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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-ethyl-1-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-1-phenyl-triazole-4-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-1-phenyl-4-triazolecarboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-1-phenyltriazole-4-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-1-phenyl-triazole-4-carboxamide Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CN(N=N3)C4=CC=CC=C4

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CN(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N7O3/c1-2-27(21(31)17-14-29(26-25-17)16-11-7-4-8-12-16)18-19(23)28(22(32)24-20(18)30)13-15-9-5-3-6-10-15/h3-12,14H,2,13,23H2,1H3,(H,24,30,32)