1-(2-hydroxyethyl)-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]phenyl]thiourea

Systemtic Name: 1-(2-hydroxyethyl)-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]phenyl]thiourea Openeye Name: 1-(2-hydroxyethyl)-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]phenyl]thiourea CAS Name: 1-(2-hydroxyethyl)-3-[4-[4-[(3S)-3-methyl-4-morpholinyl]-6-(1-methylsulfonylcyclopropyl)-2-pyrimidinyl]phenyl]thiourea IUPAC Name: 1-(2-hydroxyethyl)-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]phenyl]thiourea Traditional Name: 1-(2-hydroxyethyl)-3-[4-[4-(1-mesylcyclopropyl)-6-[(3S)-3-methylmorpholino]pyrimidin-2-yl]phenyl]thiourea Formula: C22H29N5O4S2 MolecularWeight: 491.62676

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=CC=C(C=C4)NC(=S)NCCO

Isomeric SMILES

C[C@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=CC=C(C=C4)NC(=S)NCCO

InChI

InChI=1S/C22H29N5O4S2/c1-15-14-31-12-10-27(15)19-13-18(22(7-8-22)33(2,29)30)25-20(26-19)16-3-5-17(6-4-16)24-21(32)23-9-11-28/h3-6,13,15,28H,7-12,14H2,1-2H3,(H2,23,24,32)/t15-/m0/s1