(3S)-3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-4-piperidin-1-yl-cyclohexan-1-ol

Systemtic Name: (3S)-3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-4-piperidin-1-yl-cyclohexan-1-ol Openeye Name: (3S)-3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-4-(1-piperidyl)cyclohexanol CAS Name: (3S)-3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-4-(1-piperidinyl)-1-cyclohexanol IUPAC Name: (3S)-3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-4-piperidin-1-ylcyclohexan-1-ol Traditional Name: (3S)-3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-4-piperidino-cyclohexanol Formula: C21H35N5O MolecularWeight: 373.5355

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CC(CCC3N4CCCCC4)O

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)N[C@H]3CC(CCC3N4CCCCC4)O

InChI

InChI=1S/C21H35N5O/c27-17-8-9-19(25-12-6-3-7-13-25)18(16-17)23-21-22-11-10-20(24-21)26-14-4-1-2-5-15-26/h10-11,17-19,27H,1-9,12-16H2,(H,22,23,24)/t17?,18-,19?/m0/s1