3-[[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]benzonitrile CAS Name: 3-[[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]benzonitrile Traditional Name: 3-[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]benzonitrile Formula: C26H29N5O MolecularWeight: 427.54136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O/c27-13-17-2-1-3-21(9-17)25(32)31-5-4-22-23(14-31)29-16-30-24(22)28-15-26-10-18-6-19(11-26)8-20(7-18)12-26/h1-3,9,16,18-20H,4-8,10-12,14-15H2,(H,28,29,30)