[5-(4-azanyl-6-methyl-7-oxidanylidene-pteridin-8-yl)-3-(4-chlorophenyl)carbonyloxy-oxolan-2-yl]methyl 4-chloranylbenzoate

Systemtic Name: [5-(4-azanyl-6-methyl-7-oxidanylidene-pteridin-8-yl)-3-(4-chlorophenyl)carbonyloxy-oxolan-2-yl]methyl 4-chloranylbenzoate Openeye Name: [5-(4-amino-6-methyl-7-oxo-pteridin-8-yl)-3-(4-chlorobenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [5-(4-amino-6-methyl-7-oxo-8-pteridinyl)-3-[(4-chlorophenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-6-methyl-7-oxopteridin-8-yl)-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [5-(4-amino-7-keto-6-methyl-pteridin-8-yl)-3-(4-chlorobenzoyl)oxy-tetrahydrofuran-2-yl]methyl ester Formula: C26H21Cl2N5O6 MolecularWeight: 570.38084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N=CN=C2N)N(C1=O)C3CC(C(O3)COC(=O)C4=CC=C(C=C4)Cl)OC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=NC2=C(N=CN=C2N)N(C1=O)C3CC(C(O3)COC(=O)C4=CC=C(C=C4)Cl)OC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H21Cl2N5O6/c1-13-24(34)33(23-21(32-13)22(29)30-12-31-23)20-10-18(39-26(36)15-4-8-17(28)9-5-15)19(38-20)11-37-25(35)14-2-6-16(27)7-3-14/h2-9,12,18-20H,10-11H2,1H3,(H2,29,30,31)