6-azanyl-1-butyl-5-[[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]-(phenylmethyl)amino]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-butyl-5-[[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]-(phenylmethyl)amino]pyrimidine-2,4-dione Openeye Name: 6-amino-5-[benzyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-butyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[[2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl]-(phenylmethyl)amino]pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[benzyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-butylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[benzyl-[2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-butyl-pyrimidine-2,4-quinone Formula: C26H32N6O4 MolecularWeight: 492.57008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4)N

InChI

InChI=1S/C26H32N6O4/c1-2-3-13-32-23(27)22(24(34)29-26(32)36)31(16-18-9-5-4-6-10-18)17-21(33)19-14-20(28-15-19)25(35)30-11-7-8-12-30/h4-6,9-10,14-15,28H,2-3,7-8,11-13,16-17,27H2,1H3,(H,29,34,36)