4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-N-(4-pyridylmethyl)benzamide CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-N-(4-pyridylmethyl)benzamide Formula: C21H21N9O MolecularWeight: 415.45114

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C21H21N9O/c1-30(12-15-11-25-19-17(27-15)18(22)28-21(23)29-19)16-4-2-14(3-5-16)20(31)26-10-13-6-8-24-9-7-13/h2-9,11H,10,12H2,1H3,(H,26,31)(H4,22,23,25,28,29)