4-[[4-chloranyl-6-[phenethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N,N-dipropyl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-[phenethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N,N-dipropyl-benzamide Openeye Name: 4-[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N,N-dipropyl-benzamide CAS Name: 4-[[[4-chloro-6-[phenethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N,N-dipropylbenzamide IUPAC Name: 4-[[4-[benzyl(phenethyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N,N-dipropylbenzamide Traditional Name: 4-[[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N,N-dipropyl-benzamide Formula: C33H37ClN4OS MolecularWeight: 573.19108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C33H37ClN4OS/c1-3-20-37(21-4-2)32(39)29-17-15-28(16-18-29)25-40-33-35-30(34)23-31(36-33)38(24-27-13-9-6-10-14-27)22-19-26-11-7-5-8-12-26/h5-18,23H,3-4,19-22,24-25H2,1-2H3