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3-azanyl-6,7-bis(oxidanyl)-1-(propylamino)-9,9a-dihydro-4aH-xanthene-2-carbonitrile

3-azanyl-6,7-bis(oxidanyl)-1-(propylamino)-9,9a-dihydro-4aH-xanthene-2-carbonitrile

Systemtic Name:3-azanyl-6,7-bis(oxidanyl)-1-(propylamino)-9,9a-dihydro-4aH-xanthene-2-carbonitrile
Openeye Name:3-amino-6,7-dihydroxy-1-(propylamino)-9,9a-dihydro-4aH-xanthene-2-carbonitrile
CAS Name:3-amino-6,7-dihydroxy-1-(propylamino)-9,9a-dihydro-4aH-xanthene-2-carbonitrile
IUPAC Name:3-amino-6,7-dihydroxy-1-(propylamino)-9,9a-dihydro-4aH-xanthene-2-carbonitrile
Traditional Name:3-amino-6,7-dihydroxy-1-(propylamino)-9,9a-dihydro-4aH-xanthene-2-carbonitrile
Formula: C17H19N3O3
MolecularWeight: 313.35106
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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=CC2C1CC3=CC(=C(C=C3O2)O)O)N)C#N


Isomeric SMILES

CCCNC1=C(C(=CC2C1CC3=CC(=C(C=C3O2)O)O)N)C#N


InChI

InChI=1S/C17H19N3O3/c1-2-3-20-17-10-4-9-5-13(21)14(22)7-15(9)23-16(10)6-12(19)11(17)8-18/h5-7,10,16,20-22H,2-4,19H2,1H3


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