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

Systemtic Name: 1-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-3-(naphthalen-1-ylmethyl)thiourea Openeye Name: 1-[4-[2-cyanoethyl(2-furylmethyl)amino]pyrimidin-5-yl]-3-(1-naphthylmethyl)thiourea CAS Name: 1-[4-[2-cyanoethyl(2-furanylmethyl)amino]-5-pyrimidinyl]-3-(1-naphthalenylmethyl)thiourea IUPAC Name: 1-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-3-(naphthalen-1-ylmethyl)thiourea Traditional Name: 1-[4-[2-cyanoethyl(2-furfuryl)amino]pyrimidin-5-yl]-3-(1-naphthylmethyl)thiourea Formula: C24H22N6OS MolecularWeight: 442.53608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CNC(=S)NC3=CN=CN=C3N(CCC#N)CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNC(=S)NC3=CN=CN=C3N(CCC#N)CC4=CC=CO4

InChI

InChI=1S/C24H22N6OS/c25-11-5-12-30(16-20-9-4-13-31-20)23-22(15-26-17-28-23)29-24(32)27-14-19-8-3-7-18-6-1-2-10-21(18)19/h1-4,6-10,13,15,17H,5,12,14,16H2,(H2,27,29,32)