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

Systemtic Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(naphthalen-1-ylmethyl)thiourea Openeye Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(1-naphthylmethyl)thiourea CAS Name: 1-[4-[2-cyanoethyl(propyl)amino]-5-pyrimidinyl]-3-(1-naphthalenylmethyl)thiourea IUPAC Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(naphthalen-1-ylmethyl)thiourea Traditional Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(1-naphthylmethyl)thiourea Formula: C22H24N6S MolecularWeight: 404.53116

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC#N)C1=NC=NC=C1NC(=S)NCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCN(CCC#N)C1=NC=NC=C1NC(=S)NCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H24N6S/c1-2-12-28(13-6-11-23)21-20(15-24-16-26-21)27-22(29)25-14-18-9-5-8-17-7-3-4-10-19(17)18/h3-5,7-10,15-16H,2,6,12-14H2,1H3,(H2,25,27,29)