1-[(Z)-1-[2-(cyclooctylamino)-4-methyl-pyrimidin-5-yl]ethylideneamino]thiourea

Systemtic Name: 1-[(Z)-1-[2-(cyclooctylamino)-4-methyl-pyrimidin-5-yl]ethylideneamino]thiourea Openeye Name: [(Z)-1-[2-(cyclooctylamino)-4-methyl-pyrimidin-5-yl]ethylideneamino]thiourea CAS Name: [(Z)-1-[2-(cyclooctylamino)-4-methyl-5-pyrimidinyl]ethylideneamino]thiourea IUPAC Name: [(Z)-1-[2-(cyclooctylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea Traditional Name: [(Z)-1-[2-(cyclooctylamino)-4-methyl-pyrimidin-5-yl]ethylideneamino]thiourea Formula: C16H26N6S MolecularWeight: 334.48284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=NNC(=S)N)C)NC2CCCCCCC2

Isomeric SMILES

CC1=NC(=NC=C1/C(=N\NC(=S)N)/C)NC2CCCCCCC2

InChI

InChI=1S/C16H26N6S/c1-11-14(12(2)21-22-15(17)23)10-18-16(19-11)20-13-8-6-4-3-5-7-9-13/h10,13H,3-9H2,1-2H3,(H3,17,22,23)(H,18,19,20)/b21-12-