N-cyclopropyl-N-methyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-4-amine hydrate hydrochloride

Systemtic Name: N-cyclopropyl-N-methyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-4-amine hydrate hydrochloride Openeye Name: N-cyclopropyl-N-methyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-4-amine hydrate hydrochloride CAS Name: N-cyclopropyl-N-methyl-2-[4-(3,3,3-triphenylpropyl)-1-piperazinyl]-4-pyrimidinamine hydrate hydrochloride IUPAC Name: N-cyclopropyl-N-methyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-4-amine hydrate hydrochloride Traditional Name: cyclopropyl-methyl-[2-[4-(3,3,3-triphenylpropyl)piperazino]pyrimidin-4-yl]amine hydrate hydrochloride Formula: C33H40ClN5O MolecularWeight: 558.1566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CC1)C2=NC(=NC=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.O.Cl

Isomeric SMILES

CN(C1CC1)C2=NC(=NC=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.O.Cl

InChI

InChI=1S/C33H37N5.ClH.H2O/c1-36(30-17-18-30)31-19-21-34-32(35-31)38-25-23-37(24-26-38)22-20-33(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29;;/h2-16,19,21,30H,17-18,20,22-26H2,1H3;1H;1H2