2-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]ethyl N-prop-2-enylcarbamodithioate

Systemtic Name: 2-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]ethyl N-prop-2-enylcarbamodithioate Openeye Name: 2-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]ethyl N-allylcarbamodithioate CAS Name: N-prop-2-enylcarbamodithioic acid 2-[[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]ethyl ester IUPAC Name: 2-[(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]ethyl N-prop-2-enylcarbamodithioate Traditional Name: N-allylcarbamodithioic acid 2-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]ethyl ester Formula: C14H20N6O3S2 MolecularWeight: 384.477

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)SCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

C=CCNC(=S)SCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C14H20N6O3S2/c1-2-3-16-14(24)25-9-4-15-12-11(20(21)22)13(18-10-17-12)19-5-7-23-8-6-19/h2,10H,1,3-9H2,(H,16,24)(H,15,17,18)