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

Systemtic Name: 8-(1-methylpyrrol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(1-methylpyrrol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(1-methyl-2-pyrrolyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(1-methylpyrrol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(1-methylpyrrol-2-yl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=CN3C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=CN3C

InChI

InChI=1S/C16H21N5O2/c1-4-8-20-14-12(15(22)21(9-5-2)16(20)23)17-13(18-14)11-7-6-10-19(11)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,18)