1-[4,5-bis(4-methoxyphenyl)pyrimidin-2-yl]-2-[1-(phenylmethyl)piperidin-4-yl]guanidine

Systemtic Name: 1-[4,5-bis(4-methoxyphenyl)pyrimidin-2-yl]-2-[1-(phenylmethyl)piperidin-4-yl]guanidine Openeye Name: 2-(1-benzyl-4-piperidyl)-1-[4,5-bis(4-methoxyphenyl)pyrimidin-2-yl]guanidine CAS Name: 1-[4,5-bis(4-methoxyphenyl)-2-pyrimidinyl]-2-[1-(phenylmethyl)-4-piperidinyl]guanidine IUPAC Name: 2-(1-benzylpiperidin-4-yl)-1-[4,5-bis(4-methoxyphenyl)pyrimidin-2-yl]guanidine Traditional Name: 2-(1-benzyl-4-piperidyl)-1-[4,5-bis(4-methoxyphenyl)pyrimidin-2-yl]guanidine Formula: C31H34N6O2 MolecularWeight: 522.64066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=C(C=C3)OC)NC(=NC4CCN(CC4)CC5=CC=CC=C5)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=C(C=C3)OC)NC(=NC4CCN(CC4)CC5=CC=CC=C5)N

InChI

InChI=1S/C31H34N6O2/c1-38-26-12-8-23(9-13-26)28-20-33-31(35-29(28)24-10-14-27(39-2)15-11-24)36-30(32)34-25-16-18-37(19-17-25)21-22-6-4-3-5-7-22/h3-15,20,25H,16-19,21H2,1-2H3,(H3,32,33,34,35,36)