3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(1H-1,2,4-triazol-5-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(1H-1,2,4-triazol-5-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(1H-1,2,4-triazol-5-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(1H-1,2,4-triazol-5-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(1H-1,2,4-triazol-5-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(1H-1,2,4-triazol-5-ylmethyl)-7H-purine-2,6-quinone Formula: C19H22N8O2 MolecularWeight: 394.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=NN3)N(C1=O)CCC4=CC=C(C=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=NN3)N(C1=O)CCC4=CC=C(C=C4)N

InChI

InChI=1S/C19H22N8O2/c1-2-8-27-18(28)16-17(24-15(23-16)10-14-21-11-22-25-14)26(19(27)29)9-7-12-3-5-13(20)6-4-12/h3-6,11H,2,7-10,20H2,1H3,(H,23,24)(H,21,22,25)