7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 8-(3-isopropoxypropylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 8-(3-isopropoxypropylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H29N5O4/c1-14(2)30-13-5-11-22-20-23-18-17(19(27)24-21(28)25(18)3)26(20)12-10-15-6-8-16(29-4)9-7-15/h6-9,14H,5,10-13H2,1-4H3,(H,22,23)(H,24,27,28)