8-(1-benzothiophen-2-yl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(1-benzothiophen-2-yl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(benzothiophen-2-yl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(1-benzothiophen-2-yl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(1-benzothiophen-2-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(benzothiophen-2-yl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N4O2S/c1-3-9-22-17-15(18(24)23(10-4-2)19(22)25)20-16(21-17)14-11-12-7-5-6-8-13(12)26-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21)