2-(1-adamantylamino)-4-azanyl-6-[[4-[3-(cyanomethyl)-2-oxidanylidene-1H-pyridin-4-yl]phenyl]amino]pyridine-3-carbonitrile

Systemtic Name: 2-(1-adamantylamino)-4-azanyl-6-[[4-[3-(cyanomethyl)-2-oxidanylidene-1H-pyridin-4-yl]phenyl]amino]pyridine-3-carbonitrile Openeye Name: 2-(1-adamantylamino)-4-amino-6-[4-[3-(cyanomethyl)-2-oxo-1H-pyridin-4-yl]anilino]pyridine-3-carbonitrile CAS Name: 2-(1-adamantylamino)-4-amino-6-[4-[3-(cyanomethyl)-2-oxo-1H-pyridin-4-yl]anilino]-3-pyridinecarbonitrile IUPAC Name: 2-(1-adamantylamino)-4-amino-6-[4-[3-(cyanomethyl)-2-oxo-1H-pyridin-4-yl]anilino]pyridine-3-carbonitrile Traditional Name: 2-(1-adamantylamino)-4-amino-6-[4-[3-(cyanomethyl)-2-keto-1H-pyridin-4-yl]anilino]nicotinonitrile Formula: C29H29N7O MolecularWeight: 491.58686

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=CC(=N4)NC5=CC=C(C=C5)C6=C(C(=O)NC=C6)CC#N)N)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=CC(=N4)NC5=CC=C(C=C5)C6=C(C(=O)NC=C6)CC#N)N)C#N

InChI

InChI=1S/C29H29N7O/c30-7-5-23-22(6-8-33-28(23)37)20-1-3-21(4-2-20)34-26-12-25(32)24(16-31)27(35-26)36-29-13-17-9-18(14-29)11-19(10-17)15-29/h1-4,6,8,12,17-19H,5,9-11,13-15H2,(H,33,37)(H4,32,34,35,36)