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

Systemtic Name: N-[(2R,3S)-2-(2-azanylethyl)-1-cyclohexyl-pyrrolidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine Openeye Name: N-[(2R,3S)-2-(2-aminoethyl)-1-cyclohexyl-pyrrolidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine CAS Name: N-[(2R,3S)-2-(2-aminoethyl)-1-cyclohexyl-3-pyrrolidinyl]-4-(1-azepanyl)-2-pyrimidinamine IUPAC Name: N-[(2R,3S)-2-(2-aminoethyl)-1-cyclohexylpyrrolidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine Traditional Name: [(2R,3S)-2-(2-aminoethyl)-1-cyclohexyl-pyrrolidin-3-yl]-[4-(azepan-1-yl)pyrimidin-2-yl]amine Formula: C22H38N6 MolecularWeight: 386.57732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3CCN)C4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C22H38N6/c23-13-10-20-19(12-17-28(20)18-8-4-3-5-9-18)25-22-24-14-11-21(26-22)27-15-6-1-2-7-16-27/h11,14,18-20H,1-10,12-13,15-17,23H2,(H,24,25,26)/t19-,20+/m0/s1