6-azanyl-1-butyl-5-[2-methylpropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-butyl-5-[2-methylpropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrimidine-2,4-dione Openeye Name: 6-amino-1-butyl-5-[isobutyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[2-methylpropyl-[[4-(1-pyrazolyl)phenyl]methyl]amino]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-butyl-5-[2-methylpropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrimidine-2,4-dione Traditional Name: 6-amino-1-butyl-5-[isobutyl-(4-pyrazol-1-ylbenzyl)amino]pyrimidine-2,4-quinone Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=C(C=C2)N3C=CC=N3)CC(C)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=C(C=C2)N3C=CC=N3)CC(C)C)N

InChI

InChI=1S/C22H30N6O2/c1-4-5-12-27-20(23)19(21(29)25-22(27)30)26(14-16(2)3)15-17-7-9-18(10-8-17)28-13-6-11-24-28/h6-11,13,16H,4-5,12,14-15,23H2,1-3H3,(H,25,29,30)