N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine Openeye Name: N-(1,1-dioxothiolan-3-yl)-4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine CAS Name: N-(1,1-dioxo-3-thiolanyl)-4-[1-(4-methoxyphenyl)-4-pyrazolyl]-2-pyrimidinamine IUPAC Name: N-(1,1-dioxothiolan-3-yl)-4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine Traditional Name: (1,1-diketothiolan-3-yl)-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]amine Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C=N2)C3=NC(=NC=C3)NC4CCS(=O)(=O)C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C=N2)C3=NC(=NC=C3)NC4CCS(=O)(=O)C4

InChI

InChI=1S/C18H19N5O3S/c1-26-16-4-2-15(3-5-16)23-11-13(10-20-23)17-6-8-19-18(22-17)21-14-7-9-27(24,25)12-14/h2-6,8,10-11,14H,7,9,12H2,1H3,(H,19,21,22)