8-azanyl-1,3-bis(cyclopropylmethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-azanyl-1,3-bis(cyclopropylmethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione Openeye Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-p-anisyl-xanthine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(N=C2N)N(C(=O)N(C3=O)CC4CC4)CC5CC5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(N=C2N)N(C(=O)N(C3=O)CC4CC4)CC5CC5

InChI

InChI=1S/C21H25N5O3/c1-29-16-8-6-15(7-9-16)10-24-17-18(23-20(24)22)25(11-13-2-3-13)21(28)26(19(17)27)12-14-4-5-14/h6-9,13-14H,2-5,10-12H2,1H3,(H2,22,23)