8-(1-methyl-4-nitro-pyrrol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(1-methyl-4-nitro-pyrrol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(1-methyl-4-nitro-pyrrol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(1-methyl-4-nitro-2-pyrrolyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(1-methyl-4-nitropyrrol-2-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(1-methyl-4-nitro-pyrrol-2-yl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O4/c1-4-6-20-14-12(15(23)21(7-5-2)16(20)24)17-13(18-14)11-8-10(22(25)26)9-19(11)3/h8-9H,4-7H2,1-3H3,(H,17,18)