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

Systemtic Name: 6-azanyl-1-butyl-5-[[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-(phenylmethyl)amino]pyrimidine-2,4-dione Openeye Name: 6-amino-5-[benzyl-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]amino]-1-butyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-(phenylmethyl)amino]pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[benzyl-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]-1-butylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[benzyl-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]amino]-1-butyl-pyrimidine-2,4-quinone Formula: C26H33N7O3 MolecularWeight: 491.58532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)N

InChI

InChI=1S/C26H33N7O3/c1-2-3-13-33-24(27)23(25(35)29-26(33)36)32(18-20-9-5-4-6-10-20)19-22(34)31-16-14-30(15-17-31)21-11-7-8-12-28-21/h4-12H,2-3,13-19,27H2,1H3,(H,29,35,36)