6-azanyl-5-[(3-fluorophenyl)methyl-(3-oxidanylpropyl)amino]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[(3-fluorophenyl)methyl-(3-oxidanylpropyl)amino]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[(3-fluorophenyl)methyl-(3-hydroxypropyl)amino]pyrimidine-2,4-dione CAS Name: 6-amino-5-[(3-fluorophenyl)methyl-(3-hydroxypropyl)amino]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[(3-fluorophenyl)methyl-(3-hydroxypropyl)amino]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[(3-fluorobenzyl)-(3-hydroxypropyl)amino]pyrimidine-2,4-quinone Formula: C21H23FN4O3 MolecularWeight: 398.430723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CCCO)CC3=CC(=CC=C3)F)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CCCO)CC3=CC(=CC=C3)F)N

InChI

InChI=1S/C21H23FN4O3/c22-17-9-4-8-16(12-17)13-25(10-5-11-27)18-19(23)26(21(29)24-20(18)28)14-15-6-2-1-3-7-15/h1-4,6-9,12,27H,5,10-11,13-14,23H2,(H,24,28,29)