4-azanyl-3-[[4-pyrrolidin-1-yl-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide

Systemtic Name: 4-azanyl-3-[[4-pyrrolidin-1-yl-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide Openeye Name: 4-amino-3-[[4-pyrrolidin-1-yl-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide CAS Name: 4-amino-3-[[4-(1-pyrrolidinyl)-6-(3-pyrrolidinylamino)-1,3,5-triazin-2-yl]amino]benzamide IUPAC Name: 4-amino-3-[[4-pyrrolidin-1-yl-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide Traditional Name: 4-amino-3-[[4-pyrrolidino-6-(pyrrolidin-3-ylamino)-s-triazin-2-yl]amino]benzamide Formula: C18H25N9O MolecularWeight: 383.4508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)NC3CCNC3)NC4=C(C=CC(=C4)C(=O)N)N

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)NC3CCNC3)NC4=C(C=CC(=C4)C(=O)N)N

InChI

InChI=1S/C18H25N9O/c19-13-4-3-11(15(20)28)9-14(13)23-17-24-16(22-12-5-6-21-10-12)25-18(26-17)27-7-1-2-8-27/h3-4,9,12,21H,1-2,5-8,10,19H2,(H2,20,28)(H2,22,23,24,25,26)