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

Systemtic Name: 3-[(3S)-3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]adamantan-1-ol Openeye Name: 3-[(3S)-3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidyl]adamantan-1-ol CAS Name: 3-[(3S)-3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-piperidinyl]-1-adamantanol IUPAC Name: 3-[(3S)-3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]adamantan-1-ol Traditional Name: 3-[(3S)-3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidino]adamantan-1-ol Formula: C25H39N5O MolecularWeight: 425.61006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)C45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)N[C@H]3CCCN(C3)C45CC6CC(C4)CC(C6)(C5)O

InChI

InChI=1S/C25H39N5O/c31-25-15-19-12-20(16-25)14-24(13-19,18-25)30-11-5-6-21(17-30)27-23-26-8-7-22(28-23)29-9-3-1-2-4-10-29/h7-8,19-21,31H,1-6,9-18H2,(H,26,27,28)/t19?,20?,21-,24?,25?/m0/s1