ethyl 4-azanyl-2-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H23N5O3S/c1-4-26-17(25)14-10-21-18(22-16(14)19)27-11-15(24)20-9-12-5-7-13(8-6-12)23(2)3/h5-8,10H,4,9,11H2,1-3H3,(H,20,24)(H2,19,21,22)