methyl 3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H19N5O5/c1-10-5-6-11(17(26)28-4)7-12(10)20-13(24)8-23-9-19-15-14(23)16(25)22(3)18(27)21(15)2/h5-7,9H,8H2,1-4H3,(H,20,24)