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

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(1,3-thiazol-4-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(thiazol-4-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(4-thiazolylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(1,3-thiazol-4-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(thiazol-4-ylmethyl)-7H-purine-2,6-quinone Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2S/c1-2-8-26-19(27)17-18(24-16(23-17)10-15-11-29-12-22-15)25(20(26)28)9-7-13-3-5-14(21)6-4-13/h3-6,11-12H,2,7-10,21H2,1H3,(H,23,24)