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

Systemtic Name: pyridin-3-ylmethyl 4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate Openeye Name: 3-pyridylmethyl 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 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 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 3-pyridylmethyl ester Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=NC=N2)NCC34CC5CC(C3)CC(C5)C4)C(=O)OCC6=CN=CC=C6

Isomeric SMILES

C1CN(CC2=C1C(=NC=N2)NCC34CC5CC(C3)CC(C5)C4)C(=O)OCC6=CN=CC=C6

InChI

InChI=1S/C25H31N5O2/c31-24(32-14-17-2-1-4-26-12-17)30-5-3-21-22(13-30)28-16-29-23(21)27-15-25-9-18-6-19(10-25)8-20(7-18)11-25/h1-2,4,12,16,18-20H,3,5-11,13-15H2,(H,27,28,29)