4-(azepan-1-yl)-N-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[(3S)-1-tetrahydropyran-4-yl-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[(3S)-1-(4-oxanyl)-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[(3S)-1-tetrahydropyran-4-yl-3-piperidyl]amine Formula: C20H33N5O MolecularWeight: 359.50892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)C4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)N[C@H]3CCCN(C3)C4CCOCC4

InChI

InChI=1S/C20H33N5O/c1-2-4-12-24(11-3-1)19-7-10-21-20(23-19)22-17-6-5-13-25(16-17)18-8-14-26-15-9-18/h7,10,17-18H,1-6,8-9,11-16H2,(H,21,22,23)/t17-/m0/s1