N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2,5-diphenyl-pyrazole-3-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2,5-diphenyl-pyrazole-3-carboxamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2,5-diphenyl-pyrazole-3-carboxamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2,5-diphenyl-3-pyrazolecarboxamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2,5-diphenylpyrazole-3-carboxamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2,5-diphenyl-pyrazole-3-carboxamide Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N6O3/c1-3-5-17-31(23-24(28)32(16-4-2)27(36)29-25(23)34)26(35)22-18-21(19-12-8-6-9-13-19)30-33(22)20-14-10-7-11-15-20/h6-15,18H,3-5,16-17,28H2,1-2H3,(H,29,34,36)