[4-[[2-(1-adamantyl)-2-oxidanyl-ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-tert-butylphenyl)methanone

Systemtic Name: [4-[[2-(1-adamantyl)-2-oxidanyl-ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-tert-butylphenyl)methanone Openeye Name: [4-[[2-(1-adamantyl)-2-hydroxy-ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-tert-butylphenyl)methanone CAS Name: [4-[[2-(1-adamantyl)-2-hydroxyethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-tert-butylphenyl)methanone IUPAC Name: [4-[[2-(1-adamantyl)-2-hydroxyethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-tert-butylphenyl)methanone Traditional Name: [4-[[2-(1-adamantyl)-2-hydroxy-ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-tert-butylphenyl)methanone Formula: C30H40N4O2 MolecularWeight: 488.6642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC3=C(C2)N=CN=C3NCC(C45CC6CC(C4)CC(C6)C5)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC3=C(C2)N=CN=C3NCC(C45CC6CC(C4)CC(C6)C5)O

InChI

InChI=1S/C30H40N4O2/c1-29(2,3)23-6-4-22(5-7-23)28(36)34-9-8-24-25(17-34)32-18-33-27(24)31-16-26(35)30-13-19-10-20(14-30)12-21(11-19)15-30/h4-7,18-21,26,35H,8-17H2,1-3H3,(H,31,32,33)