3-[2,4-bis(azanyl)-5-chloranyl-pyrimido[4,5-b]indol-9-yl]propanamide

Systemtic Name: 3-[2,4-bis(azanyl)-5-chloranyl-pyrimido[4,5-b]indol-9-yl]propanamide Openeye Name: 3-(2,4-diamino-5-chloro-pyrimido[4,5-b]indol-9-yl)propanamide CAS Name: 3-(2,4-diamino-5-chloro-9-pyrimido[4,5-b]indolyl)propanamide IUPAC Name: 3-(2,4-diamino-5-chloropyrimido[4,5-b]indol-9-yl)propanamide Traditional Name: 3-(2,4-diamino-5-chloro-pyrimid[4,5-b]indol-9-yl)propionamide Formula: C13H13ClN6O MolecularWeight: 304.73492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)C3=C(N2CCC(=O)N)N=C(N=C3N)N

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)C3=C(N2CCC(=O)N)N=C(N=C3N)N

InChI

InChI=1S/C13H13ClN6O/c14-6-2-1-3-7-9(6)10-11(16)18-13(17)19-12(10)20(7)5-4-8(15)21/h1-3H,4-5H2,(H2,15,21)(H4,16,17,18,19)