3-(3-methoxypropyl)-1-propyl-8-(1H-pyrrol-2-yl)-7H-purine-2,6-dione

Systemtic Name: 3-(3-methoxypropyl)-1-propyl-8-(1H-pyrrol-2-yl)-7H-purine-2,6-dione Openeye Name: 3-(3-methoxypropyl)-1-propyl-8-(1H-pyrrol-2-yl)-7H-purine-2,6-dione CAS Name: 3-(3-methoxypropyl)-1-propyl-8-(1H-pyrrol-2-yl)-7H-purine-2,6-dione IUPAC Name: 3-(3-methoxypropyl)-1-propyl-8-(1H-pyrrol-2-yl)-7H-purine-2,6-dione Traditional Name: 3-(3-methoxypropyl)-1-propyl-8-(1H-pyrrol-2-yl)-7H-purine-2,6-quinone Formula: C16H21N5O3 MolecularWeight: 331.36964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3=CC=CN3)N(C1=O)CCCOC

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3=CC=CN3)N(C1=O)CCCOC

InChI

InChI=1S/C16H21N5O3/c1-3-8-21-15(22)12-14(20(16(21)23)9-5-10-24-2)19-13(18-12)11-6-4-7-17-11/h4,6-7,17H,3,5,8-10H2,1-2H3,(H,18,19)