(4-methylsulfonylphenyl)methyl 4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

Systemtic Name: (4-methylsulfonylphenyl)methyl 4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate Openeye Name: (4-methylsulfonylphenyl)methyl 4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate CAS Name: 4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (4-methylsulfonylphenyl)methyl ester IUPAC Name: (4-methylsulfonylphenyl)methyl 4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate Traditional Name: 4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (4-mesylbenzyl) ester Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)COC(=O)N2CCC3=C(C2)N=CN=C3NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)COC(=O)N2CCC3=C(C2)N=CN=C3NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H34N4O4S/c1-36(33,34)22-4-2-18(3-5-22)15-35-26(32)31-7-6-23-24(14-31)29-17-30-25(23)28-16-27-11-19-8-20(12-27)10-21(9-19)13-27/h2-5,17,19-21H,6-16H2,1H3,(H,28,29,30)