3-[4-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-2-yl]benzimidazole-5-carbonitrile

Systemtic Name: 3-[4-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[4-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[4-[[(2S)-1-methoxypropan-2-yl]amino]-2-pyrimidinyl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[4-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[4-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-2-yl]benzimidazole-5-carbonitrile Formula: C16H16N6O MolecularWeight: 308.33784

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC(=NC=C1)N2C=NC3=C2C=C(C=C3)C#N

Isomeric SMILES

C[C@@H](COC)NC1=NC(=NC=C1)N2C=NC3=C2C=C(C=C3)C#N

InChI

InChI=1S/C16H16N6O/c1-11(9-23-2)20-15-5-6-18-16(21-15)22-10-19-13-4-3-12(8-17)7-14(13)22/h3-7,10-11H,9H2,1-2H3,(H,18,20,21)/t11-/m0/s1