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

Systemtic Name: 3-[[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]benzonitrile CAS Name: 3-[[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]benzonitrile Traditional Name: 3-[[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]benzonitrile Formula: C26H31N5 MolecularWeight: 413.55784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=NC=N2)NCC34CC5CC(C3)CC(C5)C4)CC6=CC=CC(=C6)C#N

Isomeric SMILES

C1CN(CC2=C1C(=NC=N2)NCC34CC5CC(C3)CC(C5)C4)CC6=CC=CC(=C6)C#N

InChI

InChI=1S/C26H31N5/c27-13-18-2-1-3-19(6-18)14-31-5-4-23-24(15-31)29-17-30-25(23)28-16-26-10-20-7-21(11-26)9-22(8-20)12-26/h1-3,6,17,20-22H,4-5,7-12,14-16H2,(H,28,29,30)