8-(butan-2-ylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 8-(butan-2-ylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-phenoxyethyl)-8-(sec-butylamino)purine-2,6-dione CAS Name: 8-(butan-2-ylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-(butan-2-ylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-phenoxyethyl)-8-(sec-butylamino)xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C)NC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H23N5O3/c1-4-12(2)19-17-20-15-14(16(24)21-18(25)22(15)3)23(17)10-11-26-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,19,20)(H,21,24,25)