1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-pyrimidin-2-yl-thiourea

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-pyrimidin-2-yl-thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-pyrimidin-2-yl-thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(2-pyrimidinyl)thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-pyrimidin-2-ylthiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(2-pyrimidyl)thiourea Formula: C21H37N6PS MolecularWeight: 436.597441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NC1=NC=CC=N1)(N2CCCCCC2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)P(=NC(=S)NC1=NC=CC=N1)(N2CCCCCC2)N3CCCCCC3

InChI

InChI=1S/C21H37N6PS/c1-21(2,3)28(26-15-8-4-5-9-16-26,27-17-10-6-7-11-18-27)25-20(29)24-19-22-13-12-14-23-19/h12-14H,4-11,15-18H2,1-3H3,(H,22,23,24,29)