2-[[6-chloranyl-7-[(phenylmethyl)amino]-4-pyrrolidin-1-yl-pteridin-2-yl]amino]ethanol

Systemtic Name: 2-[[6-chloranyl-7-[(phenylmethyl)amino]-4-pyrrolidin-1-yl-pteridin-2-yl]amino]ethanol Openeye Name: 2-[[7-(benzylamino)-6-chloro-4-pyrrolidin-1-yl-pteridin-2-yl]amino]ethanol CAS Name: 2-[[6-chloro-7-[(phenylmethyl)amino]-4-(1-pyrrolidinyl)-2-pteridinyl]amino]ethanol IUPAC Name: 2-[[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]amino]ethanol Traditional Name: 2-[[7-(benzylamino)-6-chloro-4-pyrrolidino-pteridin-2-yl]amino]ethanol Formula: C19H22ClN7O MolecularWeight: 399.87728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)NCCO

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)NCCO

InChI

InChI=1S/C19H22ClN7O/c20-15-17(22-12-13-6-2-1-3-7-13)24-16-14(23-15)18(27-9-4-5-10-27)26-19(25-16)21-8-11-28/h1-3,6-7,28H,4-5,8-12H2,(H2,21,22,24,25,26)