1-[2-azanyl-4-(cyclooctylamino)pyrimidin-5-yl]sulfonyl-3-propan-2-yl-thiourea

Systemtic Name: 1-[2-azanyl-4-(cyclooctylamino)pyrimidin-5-yl]sulfonyl-3-propan-2-yl-thiourea Openeye Name: 1-[2-amino-4-(cyclooctylamino)pyrimidin-5-yl]sulfonyl-3-isopropyl-thiourea CAS Name: 1-[[2-amino-4-(cyclooctylamino)-5-pyrimidinyl]sulfonyl]-3-propan-2-ylthiourea IUPAC Name: 1-[2-amino-4-(cyclooctylamino)pyrimidin-5-yl]sulfonyl-3-propan-2-ylthiourea Traditional Name: 1-[2-amino-4-(cyclooctylamino)pyrimidin-5-yl]sulfonyl-3-isopropyl-thiourea Formula: C16H28N6O2S2 MolecularWeight: 400.56252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NS(=O)(=O)C1=CN=C(N=C1NC2CCCCCCC2)N

Isomeric SMILES

CC(C)NC(=S)NS(=O)(=O)C1=CN=C(N=C1NC2CCCCCCC2)N

InChI

InChI=1S/C16H28N6O2S2/c1-11(2)19-16(25)22-26(23,24)13-10-18-15(17)21-14(13)20-12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H2,19,22,25)(H3,17,18,20,21)