methyl 4-[[3-azanyl-4-(heptan-4-ylamino)-6-methyl-pyridin-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[3-azanyl-4-(heptan-4-ylamino)-6-methyl-pyridin-2-yl]amino]benzoate Openeye Name: methyl 4-[[3-amino-6-methyl-4-(1-propylbutylamino)-2-pyridyl]amino]benzoate CAS Name: 4-[[3-amino-4-(heptan-4-ylamino)-6-methyl-2-pyridinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-amino-4-(heptan-4-ylamino)-6-methylpyridin-2-yl]amino]benzoate Traditional Name: 4-[[3-amino-6-methyl-4-(1-propylbutylamino)-2-pyridyl]amino]benzoic acid methyl ester Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=CC(=NC(=C1N)NC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CCCC(CCC)NC1=CC(=NC(=C1N)NC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C21H30N4O2/c1-5-7-16(8-6-2)24-18-13-14(3)23-20(19(18)22)25-17-11-9-15(10-12-17)21(26)27-4/h9-13,16H,5-8,22H2,1-4H3,(H2,23,24,25)