1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(2,2-diphenylethyl)thiourea

Systemtic Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(2,2-diphenylethyl)thiourea Openeye Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(2,2-diphenylethyl)thiourea CAS Name: 1-[4-[2-cyanoethyl(propyl)amino]-5-pyrimidinyl]-3-(2,2-diphenylethyl)thiourea IUPAC Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(2,2-diphenylethyl)thiourea Traditional Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(2,2-diphenylethyl)thiourea Formula: C25H28N6S MolecularWeight: 444.59502

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC#N)C1=NC=NC=C1NC(=S)NCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCN(CCC#N)C1=NC=NC=C1NC(=S)NCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N6S/c1-2-15-31(16-9-14-26)24-23(18-27-19-29-24)30-25(32)28-17-22(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,2,9,15-17H2,1H3,(H2,28,30,32)