methyl 6-aminocarbonyl-2-methyl-9-(phenylmethyl)-1H-purine-2-carboxylate

Systemtic Name: methyl 6-aminocarbonyl-2-methyl-9-(phenylmethyl)-1H-purine-2-carboxylate Openeye Name: methyl 9-benzyl-6-carbamoyl-2-methyl-1H-purine-2-carboxylate CAS Name: 6-carbamoyl-2-methyl-9-(phenylmethyl)-1H-purine-2-carboxylic acid methyl ester IUPAC Name: methyl 9-benzyl-6-carbamoyl-2-methyl-1H-purine-2-carboxylate Traditional Name: 9-benzyl-6-carbamoyl-2-methyl-1H-purine-2-carboxylic acid methyl ester Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC(=C2C(=N1)N(C=N2)CC3=CC=CC=C3)C(=O)N)C(=O)OC

Isomeric SMILES

CC1(NC(=C2C(=N1)N(C=N2)CC3=CC=CC=C3)C(=O)N)C(=O)OC

InChI

InChI=1S/C16H17N5O3/c1-16(15(23)24-2)19-11(13(17)22)12-14(20-16)21(9-18-12)8-10-6-4-3-5-7-10/h3-7,9,19H,8H2,1-2H3,(H2,17,22)