8-(2-azanyl-4-methyl-phenyl)-3-methyl-1-prop-2-enyl-7H-purine-2,6-dione

Systemtic Name: 8-(2-azanyl-4-methyl-phenyl)-3-methyl-1-prop-2-enyl-7H-purine-2,6-dione Openeye Name: 1-allyl-8-(2-amino-4-methyl-phenyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-(2-amino-4-methylphenyl)-3-methyl-1-prop-2-enyl-7H-purine-2,6-dione IUPAC Name: 8-(2-amino-4-methylphenyl)-3-methyl-1-prop-2-enyl-7H-purine-2,6-dione Traditional Name: 1-allyl-8-(2-amino-4-methyl-phenyl)-3-methyl-7H-purine-2,6-quinone Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)CC=C)N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)CC=C)N

InChI

InChI=1S/C16H17N5O2/c1-4-7-21-15(22)12-14(20(3)16(21)23)19-13(18-12)10-6-5-9(2)8-11(10)17/h4-6,8H,1,7,17H2,2-3H3,(H,18,19)