6-[3-[[5-[(6-methylpyridin-3-yl)methyl]-6-oxidanylidene-1H-pyrimidin-2-yl]amino]propylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[3-[[5-[(6-methylpyridin-3-yl)methyl]-6-oxidanylidene-1H-pyrimidin-2-yl]amino]propylamino]pyridine-3-carbonitrile Openeye Name: 6-[3-[[5-[(6-methyl-3-pyridyl)methyl]-6-oxo-1H-pyrimidin-2-yl]amino]propylamino]pyridine-3-carbonitrile CAS Name: 6-[3-[[5-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyrimidin-2-yl]amino]propylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[3-[[5-[(6-methylpyridin-3-yl)methyl]-6-oxo-1H-pyrimidin-2-yl]amino]propylamino]pyridine-3-carbonitrile Traditional Name: 6-[3-[[6-keto-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-2-yl]amino]propylamino]nicotinonitrile Formula: C20H21N7O MolecularWeight: 375.42704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCNC3=NC=C(C=C3)C#N

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCNC3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H21N7O/c1-14-3-4-15(11-24-14)9-17-13-26-20(27-19(17)28)23-8-2-7-22-18-6-5-16(10-21)12-25-18/h3-6,11-13H,2,7-9H2,1H3,(H,22,25)(H2,23,26,27,28)