8-chloranyl-1,3-dimethyl-7-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-7-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-7-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)C(C)C

InChI

InChI=1S/C21H21ClN4O4/c1-10(2)13-8-14-12(7-16(27)30-15(14)6-11(13)3)9-26-17-18(23-20(26)22)24(4)21(29)25(5)19(17)28/h6-8,10H,9H2,1-5H3