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

Systemtic Name: 6-azanyl-1-butyl-5-[2-methoxyethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrimidine-2,4-dione Openeye Name: 6-amino-1-butyl-5-[2-methoxyethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[2-methoxyethyl-[[4-(1-pyrazolyl)phenyl]methyl]amino]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-butyl-5-[2-methoxyethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrimidine-2,4-dione Traditional Name: 6-amino-1-butyl-5-[2-methoxyethyl-(4-pyrazol-1-ylbenzyl)amino]pyrimidine-2,4-quinone Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O3/c1-3-4-11-26-19(22)18(20(28)24-21(26)29)25(13-14-30-2)15-16-6-8-17(9-7-16)27-12-5-10-23-27/h5-10,12H,3-4,11,13-15,22H2,1-2H3,(H,24,28,29)