2-heptyl-4-methyl-7-phenyl-purino[8,7-b][1,3]oxazole-1,3-dione

Systemtic Name: 2-heptyl-4-methyl-7-phenyl-purino[8,7-b][1,3]oxazole-1,3-dione Openeye Name: 2-heptyl-4-methyl-7-phenyl-purino[8,7-b]oxazole-1,3-dione CAS Name: 2-heptyl-4-methyl-7-phenylpurino[8,7-b]oxazole-1,3-dione IUPAC Name: 2-heptyl-4-methyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione Traditional Name: 2-heptyl-4-methyl-7-phenyl-purino[8,7-b]oxazole-1,3-quinone Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=C(N=C3N2C=C(O3)C4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=C(N=C3N2C=C(O3)C4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C21H24N4O3/c1-3-4-5-6-10-13-24-19(26)17-18(23(2)21(24)27)22-20-25(17)14-16(28-20)15-11-8-7-9-12-15/h7-9,11-12,14H,3-6,10,13H2,1-2H3