4-azanyl-2-[[(1S,2S)-2-oxidanylcyclopentyl]methyl-(phenylmethyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[[(1S,2S)-2-oxidanylcyclopentyl]methyl-(phenylmethyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[benzyl-[[(1S,2S)-2-hydroxycyclopentyl]methyl]amino]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[(1S,2S)-2-hydroxycyclopentyl]methyl-(phenylmethyl)amino]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[benzyl-[[(1S,2S)-2-hydroxycyclopentyl]methyl]amino]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[benzyl-[[(1S,2S)-2-hydroxycyclopentyl]methyl]amino]pyrimidine-5-carbonitrile Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)O)CN(CC2=CC=CC=C2)C3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1C[C@H]([C@H](C1)O)CN(CC2=CC=CC=C2)C3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H21N5O/c19-9-15-10-21-18(22-17(15)20)23(11-13-5-2-1-3-6-13)12-14-7-4-8-16(14)24/h1-3,5-6,10,14,16,24H,4,7-8,11-12H2,(H2,20,21,22)/t14-,16-/m0/s1