6-azanyl-1-butyl-5-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-(phenylmethyl)amino]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-butyl-5-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-(phenylmethyl)amino]pyrimidine-2,4-dione Openeye Name: 6-amino-5-[benzyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]amino]-1-butyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-(phenylmethyl)amino]pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[benzyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]amino]-1-butylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[benzyl-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]amino]-1-butyl-pyrimidine-2,4-quinone Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC(=O)N3CCC(=N3)C4=CC=CC=C4)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC(=O)N3CCC(=N3)C4=CC=CC=C4)N

InChI

InChI=1S/C26H30N6O3/c1-2-3-15-31-24(27)23(25(34)28-26(31)35)30(17-19-10-6-4-7-11-19)18-22(33)32-16-14-21(29-32)20-12-8-5-9-13-20/h4-13H,2-3,14-18,27H2,1H3,(H,28,34,35)