8-[(4-methoxyphenyl)methylamino]-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(4-methoxyphenyl)methylamino]-3-methyl-purine-2,6-dione CAS Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(p-anisylamino)xanthine Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=C(C=C3)OC)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=C(C=C3)OC)CC=C

InChI

InChI=1S/C17H19N5O3/c1-4-9-22-13-14(21(2)17(24)20-15(13)23)19-16(22)18-10-11-5-7-12(25-3)8-6-11/h4-8H,1,9-10H2,2-3H3,(H,18,19)(H,20,23,24)