3-methyl-7-[(2-methylphenyl)methyl]-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-3-methyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-3-methyl-7-(2-methylbenzyl)xanthine Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2NCC=C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2NCC=C)N(C(=O)NC3=O)C

InChI

InChI=1S/C17H19N5O2/c1-4-9-18-16-19-14-13(15(23)20-17(24)21(14)3)22(16)10-12-8-6-5-7-11(12)2/h4-8H,1,9-10H2,2-3H3,(H,18,19)(H,20,23,24)