3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(9-ethylcarbazol-3-yl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(9-ethyl-3-carbazolyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(9-ethylcarbazol-3-yl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(9-ethylcarbazol-3-yl)propionamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CCSC3=NC(=CC(=N3)N)N)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CCSC3=NC(=CC(=N3)N)N)C4=CC=CC=C41

InChI

InChI=1S/C21H22N6OS/c1-2-27-16-6-4-3-5-14(16)15-11-13(7-8-17(15)27)24-20(28)9-10-29-21-25-18(22)12-19(23)26-21/h3-8,11-12H,2,9-10H2,1H3,(H,24,28)(H4,22,23,25,26)