3-[2-(3-aminophenyl)ethyl]-1-propyl-8-(pyrimidin-2-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(3-aminophenyl)ethyl]-1-propyl-8-(pyrimidin-2-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(3-aminophenyl)ethyl]-1-propyl-8-(pyrimidin-2-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(3-aminophenyl)ethyl]-1-propyl-8-(2-pyrimidinylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(3-aminophenyl)ethyl]-1-propyl-8-(pyrimidin-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(3-aminophenyl)ethyl]-1-propyl-8-(2-pyrimidylmethyl)-7H-purine-2,6-quinone Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=CC=N3)N(C1=O)CCC4=CC(=CC=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=CC=N3)N(C1=O)CCC4=CC(=CC=C4)N

InChI

InChI=1S/C21H23N7O2/c1-2-10-28-20(29)18-19(26-17(25-18)13-16-23-8-4-9-24-16)27(21(28)30)11-7-14-5-3-6-15(22)12-14/h3-6,8-9,12H,2,7,10-11,13,22H2,1H3,(H,25,26)