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

Systemtic Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(cyclohexylmethyl)thiourea Openeye Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(cyclohexylmethyl)thiourea CAS Name: 1-[4-[2-cyanoethyl(propyl)amino]-5-pyrimidinyl]-3-(cyclohexylmethyl)thiourea IUPAC Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(cyclohexylmethyl)thiourea Traditional Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(cyclohexylmethyl)thiourea Formula: C18H28N6S MolecularWeight: 360.52012

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC#N)C1=NC=NC=C1NC(=S)NCC2CCCCC2

Isomeric SMILES

CCCN(CCC#N)C1=NC=NC=C1NC(=S)NCC2CCCCC2

InChI

InChI=1S/C18H28N6S/c1-2-10-24(11-6-9-19)17-16(13-20-14-22-17)23-18(25)21-12-15-7-4-3-5-8-15/h13-15H,2-8,10-12H2,1H3,(H2,21,23,25)