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

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(thiophen-3-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(3-thienylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(3-thiophenylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(thiophen-3-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(3-thenyl)-7H-purine-2,6-quinone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CSC=C3)N(C1=O)CCC4=CC=C(C=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CSC=C3)N(C1=O)CCC4=CC=C(C=C4)N

InChI

InChI=1S/C21H23N5O2S/c1-2-9-26-20(27)18-19(24-17(23-18)12-15-8-11-29-13-15)25(21(26)28)10-7-14-3-5-16(22)6-4-14/h3-6,8,11,13H,2,7,9-10,12,22H2,1H3,(H,23,24)