2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-(furan-3-yl)-4-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-(furan-3-yl)-4-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-(3-furyl)-4-methyl-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-(3-furanyl)-4-methyl-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-(furan-3-yl)-4-methyl-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-5-(3-furyl)-6-keto-4-methyl-pyrimidin-1-yl]methyl]benzonitrile Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)N2CCCC(C2)N)CC3=CC=CC=C3C#N)C4=COC=C4

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)N2CCC[C@H](C2)N)CC3=CC=CC=C3C#N)C4=COC=C4

InChI

InChI=1S/C22H23N5O2/c1-15-20(18-8-10-29-14-18)21(28)27(12-17-6-3-2-5-16(17)11-23)22(25-15)26-9-4-7-19(24)13-26/h2-3,5-6,8,10,14,19H,4,7,9,12-13,24H2,1H3/t19-/m1/s1