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2-diethylaminoethyl 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate

2-diethylaminoethyl 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name:2-diethylaminoethyl 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate
Openeye Name:2-diethylaminoethyl 4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate
CAS Name:4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid 2-diethylaminoethyl ester
IUPAC Name:2-diethylaminoethyl 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate
Traditional Name:4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid 2-diethylaminoethyl ester
Formula: C18H22N4O4S
MolecularWeight: 390.45668
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)NC2=O


Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)NC2=O


InChI

InChI=1S/C18H22N4O4S/c1-3-22(4-2)9-10-26-17(25)12-5-7-13(8-6-12)19-11-14-15(23)20-18(27)21-16(14)24/h5-8,11,19H,3-4,9-10H2,1-2H3,(H2,20,21,23,24,27)


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