1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC=C)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC=C)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H21N5O2/c1-4-12-22-20-23-18-17(19(27)25(3)21(28)24(18)2)26(20)13-15-10-7-9-14-8-5-6-11-16(14)15/h4-11H,1,12-13H2,2-3H3,(H,22,23)