N-[(2R,3S)-2-(5-azanylpentyl)-1-cyclohexyl-pyrrolidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine

Systemtic Name: N-[(2R,3S)-2-(5-azanylpentyl)-1-cyclohexyl-pyrrolidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine Openeye Name: N-[(2R,3S)-2-(5-aminopentyl)-1-cyclohexyl-pyrrolidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine CAS Name: N-[(2R,3S)-2-(5-aminopentyl)-1-cyclohexyl-3-pyrrolidinyl]-4-(1-azepanyl)-2-pyrimidinamine IUPAC Name: N-[(2R,3S)-2-(5-aminopentyl)-1-cyclohexylpyrrolidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine Traditional Name: [(2R,3S)-2-(5-aminopentyl)-1-cyclohexyl-pyrrolidin-3-yl]-[4-(azepan-1-yl)pyrimidin-2-yl]amine Formula: C25H44N6 MolecularWeight: 428.65706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3CCCCCN)C4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)N[C@H]3CCN([C@@H]3CCCCCN)C4CCCCC4

InChI

InChI=1S/C25H44N6/c26-16-8-4-7-13-23-22(15-20-31(23)21-11-5-3-6-12-21)28-25-27-17-14-24(29-25)30-18-9-1-2-10-19-30/h14,17,21-23H,1-13,15-16,18-20,26H2,(H,27,28,29)/t22-,23+/m0/s1