ethyl 4-azanyl-2-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxidanylidene-propyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxidanylidene-propyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[3-(indan-5-ylamino)-3-oxo-propyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[3-(indan-5-ylamino)-3-keto-propyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCCC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCCC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C19H22N4O3S/c1-2-26-18(25)15-11-21-19(23-17(15)20)27-9-8-16(24)22-14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11H,2-5,8-9H2,1H3,(H,22,24)(H2,20,21,23)